(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide

C16H30N2O2 — CID 101337532

IUPAC(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide
SMILESCCN(CC)C(=O)[C@@H](NC1CCCC1C(C)=O)C(C)C
InChIInChI=1S/C16H30N2O2/c1-6-18(7-2)16(20)15(11(3)4)17-14-10-8-9-13(14)12(5)19/h11,13-15,17H,6-10H2,1-5H3/t13?,14?,15-/m0/s1
InChIKeyRTOGLTLSPVDIHH-NRXISQOPSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds7

About (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide

(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide (PubChem CID 101337532) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide
PubChem CID101337532
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide
SMILESCCN(CC)C(=O)[C@@H](NC1CCCC1C(C)=O)C(C)C
InChIInChI=1S/C16H30N2O2/c1-6-18(7-2)16(20)15(11(3)4)17-14-10-8-9-13(14)12(5)19/h11,13-15,17H,6-10H2,1-5H3/t13?,14?,15-/m0/s1
InChIKeyRTOGLTLSPVDIHH-NRXISQOPSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(N-acetylglycyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 3242198
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674950
cPentCO-Lys-Leu-NH2
CID 138591315
cPentCO-Orn-Leu-NH2
CID 138591472
N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134356760
1-[acetyl(methyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 768017
2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide
CID 91634873
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)propyl]propanamide
CID 53591711
1-[[2-(Cyclopropylmethylamino)-2-oxoethyl]-methylamino]cyclopentane-1-carboxamide
CID 71908852

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide (CID 101337532) is (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide is CCN(CC)C(=O)[C@@H](NC1CCCC1C(C)=O)C(C)C.
What is the InChIKey of (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide?
The InChIKey is RTOGLTLSPVDIHH-NRXISQOPSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-18(7-2)16(20)15(11(3)4)17-14-10-8-9-13(14)12(5)19/h11,13-15,17H,6-10H2,1-5H3/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide?
(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide is sourced from PubChem (CID 101337532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).