3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H26N4O2 — CID 119803043

IUPAC3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C18H26N4O2/c1-22(2)18(24)21-14-5-3-4-11(8-14)10-20-17(23)15-12-6-7-13(9-12)16(15)19/h3-5,8,12-13,15-16H,6-7,9-10,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySUZHYIIFWXTLQS-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119803043) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119803043
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C18H26N4O2/c1-22(2)18(24)21-14-5-3-4-11(8-14)10-20-17(23)15-12-6-7-13(9-12)16(15)19/h3-5,8,12-13,15-16H,6-7,9-10,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySUZHYIIFWXTLQS-UHFFFAOYSA-N
XLogP1.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-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

3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119741762
3-amino-N-[3-(methylsulfonylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756848
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide
CID 134068370
3-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119902582
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819374
methyl 2-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775532
3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119803043) is 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)Nc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1.
What is the InChIKey of 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SUZHYIIFWXTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22(2)18(24)21-14-5-3-4-11(8-14)10-20-17(23)15-12-6-7-13(9-12)16(15)19/h3-5,8,12-13,15-16H,6-7,9-10,19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119803043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).