1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide

C16H21N3O2 — CID 115448437

IUPAC1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCC1
InChIInChI=1S/C16H21N3O2/c17-10-16(8-1-9-16)15(21)19-13-6-4-12(5-7-13)18-14(20)11-2-3-11/h4-7,11H,1-3,8-10,17H2,(H,18,20)(H,19,21)
InChIKeyYNKOBDYRVUYWPK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds5

About 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide (PubChem CID 115448437) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
PubChem CID115448437
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCC1
InChIInChI=1S/C16H21N3O2/c17-10-16(8-1-9-16)15(21)19-13-6-4-12(5-7-13)18-14(20)11-2-3-11/h4-7,11H,1-3,8-10,17H2,(H,18,20)(H,19,21)
InChIKeyYNKOBDYRVUYWPK-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
CID 115448556
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide (CID 115448437) is 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide?
The InChIKey is YNKOBDYRVUYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-10-16(8-1-9-16)15(21)19-13-6-4-12(5-7-13)18-14(20)11-2-3-11/h4-7,11H,1-3,8-10,17H2,(H,18,20)(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115448437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).