N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide

C15H22N2O3 — CID 9360813

IUPACN-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-11(16-15(19)13-9-6-10-20-13)14(18)17-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyACIJRDXFRMHJLM-NSHDSACASA-N
MW278.35 g/mol
LogP2.24
Rot. Bonds4

About N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 9360813) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID9360813
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-11(16-15(19)13-9-6-10-20-13)14(18)17-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyACIJRDXFRMHJLM-NSHDSACASA-N
XLogP2.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 9360813) is N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ACIJRDXFRMHJLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(16-15(19)13-9-6-10-20-13)14(18)17-12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).