(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H33N3O3 — CID 95866978

IUPAC(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C21H33N3O3/c1-4-9-24-15-21(7-10-23(2)11-8-21)13-17(24)20(26)22-14-16-5-6-18(25)19(12-16)27-3/h5-6,12,17,25H,4,7-11,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyWGVMBVFFRMGCMR-KRWDZBQOSA-N
MW375.51 g/mol
LogP2.21
Rot. Bonds6

About (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95866978) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95866978
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C21H33N3O3/c1-4-9-24-15-21(7-10-23(2)11-8-21)13-17(24)20(26)22-14-16-5-6-18(25)19(12-16)27-3/h5-6,12,17,25H,4,7-11,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyWGVMBVFFRMGCMR-KRWDZBQOSA-N
XLogP2.21
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-propyl-N-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911452
(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874939
(3R)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895187
(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894412
8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56895775
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51362397
2,6-dimethylheptan-4-yl 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 52935557
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 10086865
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126452602

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95866978) is (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1ccc(O)c(OC)c1.
What is the InChIKey of (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WGVMBVFFRMGCMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-9-24-15-21(7-10-23(2)11-8-21)13-17(24)20(26)22-14-16-5-6-18(25)19(12-16)27-3/h5-6,12,17,25H,4,7-11,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95866978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).