N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide

C18H25NO2 — CID 134884631

IUPACN-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide
SMILESCC(=O)N[C@@H](COCc1ccccc1)C(C)=C=CC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)10-11-15(3)18(19-16(4)20)13-21-12-17-8-6-5-7-9-17/h5-10,14,18H,12-13H2,1-4H3,(H,19,20)/t11?,18-/m0/s1
InChIKeyIYQHXXGDHGDGFC-MCEAHNFKSA-N
MW287.40 g/mol
LogP3.47
Rot. Bonds7

About N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide

N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide (PubChem CID 134884631) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide
PubChem CID134884631
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide
SMILESCC(=O)N[C@@H](COCc1ccccc1)C(C)=C=CC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)10-11-15(3)18(19-16(4)20)13-21-12-17-8-6-5-7-9-17/h5-10,14,18H,12-13H2,1-4H3,(H,19,20)/t11?,18-/m0/s1
InChIKeyIYQHXXGDHGDGFC-MCEAHNFKSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyloxy-3-pyrrolin-2-one
CID 2724741
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 294932
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)acetate
CID 4432220
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
5-Methyl-6-phenyl-3-morpholinone
CID 21789
Methyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetate
CID 294920
Leucine, N-carboxy-, N-benzyl 1-vinyl ester
CID 3048969
benzyl N-(2-methylpropyl)carbamate
CID 14568365
benzyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
CID 11020511
N-Acetyl-N-desmethyldiphenhydramine
CID 86155091
Cbz-Gly-Ala-Val-OMe
CID 15600355
(R)-2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-methyl-pentanoic acid ethyl ester
CID 44350771

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide?
The IUPAC name of N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide (CID 134884631) is N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide is CC(=O)N[C@@H](COCc1ccccc1)C(C)=C=CC(C)C.
What is the InChIKey of N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide?
The InChIKey is IYQHXXGDHGDGFC-MCEAHNFKSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)10-11-15(3)18(19-16(4)20)13-21-12-17-8-6-5-7-9-17/h5-10,14,18H,12-13H2,1-4H3,(H,19,20)/t11?,18-/m0/s1.
What are the key properties of N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide?
N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide has a molecular weight of 287.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide is sourced from PubChem (CID 134884631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).