2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide

C16H26N2O — CID 103917148

IUPAC2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide
SMILESCc1cccc(CCC(C)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C16H26N2O/c1-12-6-5-7-14(10-12)9-8-13(2)18-11-16(3,4)15(17)19/h5-7,10,13,18H,8-9,11H2,1-4H3,(H2,17,19)
InChIKeyMKSXMSIWYPQHBR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.42
Rot. Bonds7

About 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide

2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide (PubChem CID 103917148) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide
PubChem CID103917148
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide
SMILESCc1cccc(CCC(C)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C16H26N2O/c1-12-6-5-7-14(10-12)9-8-13(2)18-11-16(3,4)15(17)19/h5-7,10,13,18H,8-9,11H2,1-4H3,(H2,17,19)
InChIKeyMKSXMSIWYPQHBR-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
methyl (2S)-3-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]butanoate
CID 61171503
4-[4-(3-methylphenyl)butan-2-ylamino]benzoic acid
CID 63423076
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide (CID 103917148) is 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide is Cc1cccc(CCC(C)NCC(C)(C)C(N)=O)c1.
What is the InChIKey of 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide?
The InChIKey is MKSXMSIWYPQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-5-7-14(10-12)9-8-13(2)18-11-16(3,4)15(17)19/h5-7,10,13,18H,8-9,11H2,1-4H3,(H2,17,19).
What are the key properties of 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide?
2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide is sourced from PubChem (CID 103917148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).