1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C19H29N3O2 — CID 119614508

IUPAC1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-10-22(11-4-2)19(24)16-7-5-6-15(12-16)18(23)21-17(13-20)14-8-9-14/h5-7,12,14,17H,3-4,8-11,13,20H2,1-2H3,(H,21,23)
InChIKeyBINVDNDTFCEPAY-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.42
Rot. Bonds9

About 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 119614508) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID119614508
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-10-22(11-4-2)19(24)16-7-5-6-15(12-16)18(23)21-17(13-20)14-8-9-14/h5-7,12,14,17H,3-4,8-11,13,20H2,1-2H3,(H,21,23)
InChIKeyBINVDNDTFCEPAY-UHFFFAOYSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 119616497
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119522644
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 119614508) is 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NC(CN)C2CC2)c1.
What is the InChIKey of 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is BINVDNDTFCEPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-10-22(11-4-2)19(24)16-7-5-6-15(12-16)18(23)21-17(13-20)14-8-9-14/h5-7,12,14,17H,3-4,8-11,13,20H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119614508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).