4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide

C16H21N3O2 — CID 165390196

IUPAC4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
SMILESNc1ccc(C(=O)NCC2CC2)c(C(=O)NCC2CC2)c1
InChIInChI=1S/C16H21N3O2/c17-12-5-6-13(15(20)18-8-10-1-2-10)14(7-12)16(21)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9,17H2,(H,18,20)(H,19,21)
InChIKeyINGYWNQAJDYMFB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.55
Rot. Bonds6

About 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide

4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide (PubChem CID 165390196) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
PubChem CID165390196
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
SMILESNc1ccc(C(=O)NCC2CC2)c(C(=O)NCC2CC2)c1
InChIInChI=1S/C16H21N3O2/c17-12-5-6-13(15(20)18-8-10-1-2-10)14(7-12)16(21)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9,17H2,(H,18,20)(H,19,21)
InChIKeyINGYWNQAJDYMFB-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide (CID 165390196) is 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide is Nc1ccc(C(=O)NCC2CC2)c(C(=O)NCC2CC2)c1.
What is the InChIKey of 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide?
The InChIKey is INGYWNQAJDYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-5-6-13(15(20)18-8-10-1-2-10)14(7-12)16(21)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9,17H2,(H,18,20)(H,19,21).
What are the key properties of 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide?
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 165390196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).