N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide

C19H27N3O2 — CID 71863002

IUPACN-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-17(15-6-4-7-15)20-12-5-13-21-18(24)22-14-19(10-11-19)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2,(H,20,23)(H2,21,22,24)
InChIKeySXSQWUZYLYYKNO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.32
Rot. Bonds8

About N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide

N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide (PubChem CID 71863002) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
PubChem CID71863002
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-17(15-6-4-7-15)20-12-5-13-21-18(24)22-14-19(10-11-19)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2,(H,20,23)(H2,21,22,24)
InChIKeySXSQWUZYLYYKNO-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[2-[[N'-methyl-N-[(1-phenylcyclopentyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111852426
4-[[3-(cyclobutanecarbonylamino)propylcarbamoylamino]methyl]benzoic acid
CID 122020332
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[2-[[N'-methyl-N-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111855335
N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]cyclobutanecarboxamide
CID 110159910
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]cyclopentanecarboxamide
CID 129455850
1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 86925087
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide (CID 71863002) is N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide is O=C(NCCCNC(=O)C1CCC1)NCC1(c2ccccc2)CC1.
What is the InChIKey of N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The InChIKey is SXSQWUZYLYYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-17(15-6-4-7-15)20-12-5-13-21-18(24)22-14-19(10-11-19)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 71863002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).