7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide

C22H30N2O2 — CID 119802470

IUPAC7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
SMILESCOc1ccccc1-c1ccc(C(C)NC(=O)CCCCCCN)cc1
InChIInChI=1S/C22H30N2O2/c1-17(24-22(25)11-5-3-4-8-16-23)18-12-14-19(15-13-18)20-9-6-7-10-21(20)26-2/h6-7,9-10,12-15,17H,3-5,8,11,16,23H2,1-2H3,(H,24,25)
InChIKeyRWRJDAQCLBVUMA-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.45
Rot. Bonds10

About 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide

7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide (PubChem CID 119802470) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
PubChem CID119802470
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
SMILESCOc1ccccc1-c1ccc(C(C)NC(=O)CCCCCCN)cc1
InChIInChI=1S/C22H30N2O2/c1-17(24-22(25)11-5-3-4-8-16-23)18-12-14-19(15-13-18)20-9-6-7-10-21(20)26-2/h6-7,9-10,12-15,17H,3-5,8,11,16,23H2,1-2H3,(H,24,25)
InChIKeyRWRJDAQCLBVUMA-UHFFFAOYSA-N
XLogP4.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide (CID 119802470) is 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide is COc1ccccc1-c1ccc(C(C)NC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide?
The InChIKey is RWRJDAQCLBVUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(24-22(25)11-5-3-4-8-16-23)18-12-14-19(15-13-18)20-9-6-7-10-21(20)26-2/h6-7,9-10,12-15,17H,3-5,8,11,16,23H2,1-2H3,(H,24,25).
What are the key properties of 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide?
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide has a molecular weight of 354.49 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide is sourced from PubChem (CID 119802470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).