(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide

C19H24ClN3O3 — CID 170580436

IUPAC(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
SMILESO=C1CC[C@H](C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CNC(=O)N1
InChIInChI=1S/C19H24ClN3O3/c20-15-7-3-6-13(10-15)17(12-4-1-2-5-12)23-18(25)14-8-9-16(24)22-19(26)21-11-14/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2,(H,23,25)(H2,21,22,24,26)/t14-,17-/m0/s1
InChIKeyXFBLQRUJYFVVLD-YOEHRIQHSA-N
MW377.87 g/mol
LogP2.92
Rot. Bonds4

About (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide

(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide (PubChem CID 170580436) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
PubChem CID170580436
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
SMILESO=C1CC[C@H](C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CNC(=O)N1
InChIInChI=1S/C19H24ClN3O3/c20-15-7-3-6-13(10-15)17(12-4-1-2-5-12)23-18(25)14-8-9-16(24)22-19(26)21-11-14/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2,(H,23,25)(H2,21,22,24,26)/t14-,17-/m0/s1
InChIKeyXFBLQRUJYFVVLD-YOEHRIQHSA-N
XLogP2.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide with MolForge

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Related Compounds

(5R)-N-[(R)-cyclopentyl-[3-(trifluoromethoxy)phenyl]methyl]-2,7-dioxo-1,3-diazepane-5-carboxamide
CID 170581098
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione
CID 170578671
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
(4R)-N-[(R)-cyclopentyl(phenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97081118
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide?
The IUPAC name of (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide (CID 170580436) is (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide.
What is the SMILES notation for (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide?
The canonical SMILES for (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide is O=C1CC[C@H](C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CNC(=O)N1.
What is the InChIKey of (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide?
The InChIKey is XFBLQRUJYFVVLD-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-15-7-3-6-13(10-15)17(12-4-1-2-5-12)23-18(25)14-8-9-16(24)22-19(26)21-11-14/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2,(H,23,25)(H2,21,22,24,26)/t14-,17-/m0/s1.
What are the key properties of (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide?
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide is sourced from PubChem (CID 170580436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).