N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide

C16H26N2O — CID 43399864

IUPACN-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
SMILESCCCCCC(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-7-13(2)17-12-15-8-10-16(11-9-15)18-14(3)19/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyDONATEZNKXHHKB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.70
Rot. Bonds8

About N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide

N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 43399864) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
PubChem CID43399864
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
SMILESCCCCCC(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-7-13(2)17-12-15-8-10-16(11-9-15)18-14(3)19/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyDONATEZNKXHHKB-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
CID 115639969
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
(2R)-N-benzylheptan-2-amine
CID 14923313
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759

Frequently Asked Questions

What is the IUPAC name of N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide (CID 43399864) is N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide is CCCCCC(C)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is DONATEZNKXHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-6-7-13(2)17-12-15-8-10-16(11-9-15)18-14(3)19/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19).
What are the key properties of N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide?
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 43399864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).