N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide

C17H26N4O3 — CID 86994927

IUPACN-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-6-14(22)18-12-7-9-13(10-8-12)19-16(24)21(5)11-15(23)20-17(2,3)4/h7-10H,6,11H2,1-5H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyLVFSZXFLRZALIB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.41
Rot. Bonds5

About N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide

N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide (PubChem CID 86994927) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
PubChem CID86994927
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-6-14(22)18-12-7-9-13(10-8-12)19-16(24)21(5)11-15(23)20-17(2,3)4/h7-10H,6,11H2,1-5H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyLVFSZXFLRZALIB-UHFFFAOYSA-N
XLogP2.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
CID 78874989
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 47750330
N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986380
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015926

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide (CID 86994927) is N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide?
The InChIKey is LVFSZXFLRZALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-6-14(22)18-12-7-9-13(10-8-12)19-16(24)21(5)11-15(23)20-17(2,3)4/h7-10H,6,11H2,1-5H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide?
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide is sourced from PubChem (CID 86994927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).