3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

C16H31N3O3 — CID 167420735

IUPAC3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)CNC(=O)CN(CC(=O)NC(C)C)C(=O)CC(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)7-16(22)19(10-15(21)18-13(5)6)9-14(20)17-8-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,20)(H,18,21)
InChIKeyBKJTXMWNWJXKFV-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.16
Rot. Bonds9

About 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (PubChem CID 167420735) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
PubChem CID167420735
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)CNC(=O)CN(CC(=O)NC(C)C)C(=O)CC(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)7-16(22)19(10-15(21)18-13(5)6)9-14(20)17-8-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,20)(H,18,21)
InChIKeyBKJTXMWNWJXKFV-UHFFFAOYSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 113408932
2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea
CID 159378682
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
CID 176987317
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
N-[2-(methylamino)ethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 169065890
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (CID 167420735) is 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is CC(C)CNC(=O)CN(CC(=O)NC(C)C)C(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The InChIKey is BKJTXMWNWJXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-11(2)7-16(22)19(10-15(21)18-13(5)6)9-14(20)17-8-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide has a molecular weight of 313.44 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 167420735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).