3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide

C17H24N4O3 — CID 18127274

IUPAC3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)N(CC(N)=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21(9-15(18)22)10-16(23)19-14-5-3-4-12(8-14)17(24)20-13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)
InChIKeyMNONNJVWNNONBK-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.71
Rot. Bonds8

About 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 18127274) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID18127274
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)N(CC(N)=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21(9-15(18)22)10-16(23)19-14-5-3-4-12(8-14)17(24)20-13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)
InChIKeyMNONNJVWNNONBK-UHFFFAOYSA-N
XLogP0.71
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
CID 61252820
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 25497237
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 18127274) is 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide is CC(C)N(CC(N)=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is MNONNJVWNNONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)21(9-15(18)22)10-16(23)19-14-5-3-4-12(8-14)17(24)20-13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24).
What are the key properties of 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 18127274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).