(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H33N3O2 — CID 95894412

IUPAC(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCCc1ccco1
InChIInChI=1S/C20H33N3O2/c1-3-11-23-16-20(8-12-22(2)13-9-20)15-18(23)19(24)21-10-4-6-17-7-5-14-25-17/h5,7,14,18H,3-4,6,8-13,15-16H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyVDGJCMGCTSDLKF-SFHVURJKSA-N
MW347.50 g/mol
LogP2.52
Rot. Bonds7

About (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95894412) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95894412
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCCc1ccco1
InChIInChI=1S/C20H33N3O2/c1-3-11-23-16-20(8-12-22(2)13-9-20)15-18(23)19(24)21-10-4-6-17-7-5-14-25-17/h5,7,14,18H,3-4,6,8-13,15-16H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyVDGJCMGCTSDLKF-SFHVURJKSA-N
XLogP2.52
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56884229
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(3S)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895188
(3S)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874847
(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895254
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871477
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
N-[3-(furan-2-yl)propyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 74250472
(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95882466
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95894412) is (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCCc1ccco1.
What is the InChIKey of (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VDGJCMGCTSDLKF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-3-11-23-16-20(8-12-22(2)13-9-20)15-18(23)19(24)21-10-4-6-17-7-5-14-25-17/h5,7,14,18H,3-4,6,8-13,15-16H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95894412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).