N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

C15H23N3O2 — CID 54833021

IUPACN-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-11(3)17-15(20)10-16-12-7-6-8-13(9-12)18-14(19)5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCISMPKBSAIOPIC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.36
Rot. Bonds7

About N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54833021) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54833021
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-11(3)17-15(20)10-16-12-7-6-8-13(9-12)18-14(19)5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCISMPKBSAIOPIC-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 54833021) is N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)NC(C)CC)c1.
What is the InChIKey of N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is CISMPKBSAIOPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(3)17-15(20)10-16-12-7-6-8-13(9-12)18-14(19)5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54833021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).