N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide

C16H29N3O3 — CID 90674950

IUPACN-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
SMILESCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O3/c1-4-17-14(20)10-18-16(22)13(9-11(2)3)19-15(21)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyQOBAKTRLKDEIQD-ZDUSSCGKSA-N
MW311.43 g/mol
LogP0.96
Rot. Bonds8

About N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide (PubChem CID 90674950) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
PubChem CID90674950
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
SMILESCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O3/c1-4-17-14(20)10-18-16(22)13(9-11(2)3)19-15(21)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyQOBAKTRLKDEIQD-ZDUSSCGKSA-N
XLogP0.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide (CID 90674950) is N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide is CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The InChIKey is QOBAKTRLKDEIQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-4-17-14(20)10-18-16(22)13(9-11(2)3)19-15(21)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 90674950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).