(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C24H29FN4O5 — CID 97478180

IUPAC(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C24H29FN4O5/c1-27(2)14-11-26-21(30)19-16-34-24(29(19)23(32)20-8-5-15-33-20)9-12-28(13-10-24)22(31)17-6-3-4-7-18(17)25/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyDGHOWTGQWFNOLV-IBGZPJMESA-N
MW472.52 g/mol
LogP1.57
Rot. Bonds6

About (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 97478180) has the molecular formula C24H29FN4O5 and a molecular weight of 472.52 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID97478180
Molecular FormulaC24H29FN4O5
Molecular Weight472.52 g/mol
Exact Mass472.21
IUPAC Name(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C24H29FN4O5/c1-27(2)14-11-26-21(30)19-16-34-24(29(19)23(32)20-8-5-15-33-20)9-12-28(13-10-24)22(31)17-6-3-4-7-18(17)25/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyDGHOWTGQWFNOLV-IBGZPJMESA-N
XLogP1.57
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821137
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
(3S)-4-benzoyl-N-[2-(dimethylamino)ethyl]-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137163
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954888
8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954934
4-benzoyl-8-(2-fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820917
(3R)-8-(furan-2-carbonyl)-4-(4-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478105
(3S)-N-[2-(dimethylamino)ethyl]-8-(3-methoxybenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138103
4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 42820133
4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821086
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956209

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 97478180) is (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CN(C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccco1.
What is the InChIKey of (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is DGHOWTGQWFNOLV-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29FN4O5/c1-27(2)14-11-26-21(30)19-16-34-24(29(19)23(32)20-8-5-15-33-20)9-12-28(13-10-24)22(31)17-6-3-4-7-18(17)25/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,30)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97478180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).