2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide

C16H26N2O — CID 43724150

IUPAC2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
SMILESCCC(C)CC(CC)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C16H26N2O/c1-4-12(3)10-14(5-2)18-15-8-6-13(7-9-15)11-16(17)19/h6-9,12,14,18H,4-5,10-11H2,1-3H3,(H2,17,19)
InChIKeyDHGMSJICZYOIHA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds8

About 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide

2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide (PubChem CID 43724150) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
PubChem CID43724150
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
SMILESCCC(C)CC(CC)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C16H26N2O/c1-4-12(3)10-14(5-2)18-15-8-6-13(7-9-15)11-16(17)19/h6-9,12,14,18H,4-5,10-11H2,1-3H3,(H2,17,19)
InChIKeyDHGMSJICZYOIHA-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
methyl 2-[4-(5-methylheptan-3-ylamino)phenoxy]acetate
CID 43676827
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
N,N-dimethyl-2-[4-(pentan-3-ylamino)phenyl]acetamide
CID 43720783
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide (CID 43724150) is 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide is CCC(C)CC(CC)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide?
The InChIKey is DHGMSJICZYOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12(3)10-14(5-2)18-15-8-6-13(7-9-15)11-16(17)19/h6-9,12,14,18H,4-5,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide?
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 43724150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).