N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide

C18H17N3O2 — CID 54341488

IUPACN-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N)cc1Nc1ccc2ccccc2c1O
InChIInChI=1S/C18H17N3O2/c1-11(22)20-15-9-7-13(19)10-17(15)21-16-8-6-12-4-2-3-5-14(12)18(16)23/h2-10,21,23H,19H2,1H3,(H,20,22)
InChIKeyTZGIVVPPQSVMND-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.83
Rot. Bonds3

About N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide

N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide (PubChem CID 54341488) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide
PubChem CID54341488
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N)cc1Nc1ccc2ccccc2c1O
InChIInChI=1S/C18H17N3O2/c1-11(22)20-15-9-7-13(19)10-17(15)21-16-8-6-12-4-2-3-5-14(12)18(16)23/h2-10,21,23H,19H2,1H3,(H,20,22)
InChIKeyTZGIVVPPQSVMND-UHFFFAOYSA-N
XLogP3.83
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
N-[(1-hydroxynaphthalen-2-yl)carbamothioyl]-3,5-dimethylbenzamide
CID 90205096
2-(tert-butylamino)naphthalen-1-ol
CID 70427570
N-(4-aminonaphthalen-1-yl)acetamide;aniline
CID 143752661
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
naphthalen-1-ylurea;hydrochloride
CID 141142203
N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
2-aminonaphthalen-1-ol;ethane
CID 143085377
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
5-amino-2-(anthracen-9-ylamino)benzoic acid
CID 123740477
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide (CID 54341488) is N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N)cc1Nc1ccc2ccccc2c1O.
What is the InChIKey of N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide?
The InChIKey is TZGIVVPPQSVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11(22)20-15-9-7-13(19)10-17(15)21-16-8-6-12-4-2-3-5-14(12)18(16)23/h2-10,21,23H,19H2,1H3,(H,20,22).
What are the key properties of N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide?
N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 54341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).