N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide

C19H30N4O3 — CID 47750330

IUPACN-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H30N4O3/c1-7-9-16(24)20-14-10-8-11-15(13(14)2)21-18(26)23(6)12-17(25)22-19(3,4)5/h8,10-11H,7,9,12H2,1-6H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyMFNFDCDHIDZNRF-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.11
Rot. Bonds6

About N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide

N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide (PubChem CID 47750330) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
PubChem CID47750330
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H30N4O3/c1-7-9-16(24)20-14-10-8-11-15(13(14)2)21-18(26)23(6)12-17(25)22-19(3,4)5/h8,10-11H,7,9,12H2,1-6H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyMFNFDCDHIDZNRF-UHFFFAOYSA-N
XLogP3.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986380
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 86843918
N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
CID 120590106
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The IUPAC name of N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide (CID 47750330) is N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide.
What is the SMILES notation for N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The canonical SMILES for N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The InChIKey is MFNFDCDHIDZNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-7-9-16(24)20-14-10-8-11-15(13(14)2)21-18(26)23(6)12-17(25)22-19(3,4)5/h8,10-11H,7,9,12H2,1-6H3,(H,20,24)(H,21,26)(H,22,25).
What are the key properties of N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide has a molecular weight of 362.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide is sourced from PubChem (CID 47750330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).