N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide

C16H26N2O — CID 109012982

IUPACN-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(4)18-16(19)10-11-17-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyGEFKQDJRYZXVKD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds7

About N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide

N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109012982) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
PubChem CID109012982
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(4)18-16(19)10-11-17-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyGEFKQDJRYZXVKD-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]benzoic acid
CID 115545678
1-butan-2-yl-3-(2-propan-2-ylphenyl)thiourea
CID 43384666
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 61021836
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide (CID 109012982) is N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide is CCC(C)NC(=O)CCNc1ccccc1C(C)C.
What is the InChIKey of N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is GEFKQDJRYZXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(4)18-16(19)10-11-17-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide?
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).