2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide

C18H27N3O2 — CID 136518370

IUPAC2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
SMILESCNC(=O)NCC(=O)NCC1(c2ccccc2)CCCCCC1
InChIInChI=1S/C18H27N3O2/c1-19-17(23)20-13-16(22)21-14-18(11-7-2-3-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyXVRGLAKPKXVDBU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds5

About 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide

2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide (PubChem CID 136518370) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
PubChem CID136518370
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
SMILESCNC(=O)NCC(=O)NCC1(c2ccccc2)CCCCCC1
InChIInChI=1S/C18H27N3O2/c1-19-17(23)20-13-16(22)21-14-18(11-7-2-3-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyXVRGLAKPKXVDBU-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide
CID 86798605
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
CID 18139468
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide?
The IUPAC name of 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide (CID 136518370) is 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide is CNC(=O)NCC(=O)NCC1(c2ccccc2)CCCCCC1.
What is the InChIKey of 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide?
The InChIKey is XVRGLAKPKXVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-17(23)20-13-16(22)21-14-18(11-7-2-3-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide?
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide is sourced from PubChem (CID 136518370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).