N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide

C13H25N3O3 — CID 60612562

IUPACN-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
SMILESCOCC(C)NC(=O)NCCNC(=O)C1CCCC1
InChIInChI=1S/C13H25N3O3/c1-10(9-19-2)16-13(18)15-8-7-14-12(17)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyUHTNCIUQDMHYHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.63
Rot. Bonds7

About N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide

N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide (PubChem CID 60612562) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
PubChem CID60612562
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
SMILESCOCC(C)NC(=O)NCCNC(=O)C1CCCC1
InChIInChI=1S/C13H25N3O3/c1-10(9-19-2)16-13(18)15-8-7-14-12(17)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyUHTNCIUQDMHYHM-UHFFFAOYSA-N
XLogP0.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
CID 81076784
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 4191585
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-[[(1S)-1-cyclopentylethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81394863

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide (CID 60612562) is N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide is COCC(C)NC(=O)NCCNC(=O)C1CCCC1.
What is the InChIKey of N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The InChIKey is UHTNCIUQDMHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(9-19-2)16-13(18)15-8-7-14-12(17)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide?
N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide has a molecular weight of 271.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 60612562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).