N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide

C21H21N3O3 — CID 55706773

IUPACN-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCCOc2cccc3ccccc23)c1
InChIInChI=1S/C21H21N3O3/c22-21(26)24-17-9-4-8-16(14-17)23-20(25)12-5-13-27-19-11-3-7-15-6-1-2-10-18(15)19/h1-4,6-11,14H,5,12-13H2,(H,23,25)(H3,22,24,26)
InChIKeyKQVIRXZTIXVGNC-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.13
Rot. Bonds7

About N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide

N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 55706773) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
PubChem CID55706773
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCCOc2cccc3ccccc23)c1
InChIInChI=1S/C21H21N3O3/c22-21(26)24-17-9-4-8-16(14-17)23-20(25)12-5-13-27-19-11-3-7-15-6-1-2-10-18(15)19/h1-4,6-11,14H,5,12-13H2,(H,23,25)(H3,22,24,26)
InChIKeyKQVIRXZTIXVGNC-UHFFFAOYSA-N
XLogP4.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224
N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
CID 55710931
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-cyclopropyl-4-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 55706628
N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 56573333
4-naphthalen-1-yloxy-N-(4-oxo-1H-pyridin-3-yl)butanamide
CID 51118907
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308
N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
CID 55840132

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide (CID 55706773) is N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide is NC(=O)Nc1cccc(NC(=O)CCCOc2cccc3ccccc23)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is KQVIRXZTIXVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-21(26)24-17-9-4-8-16(14-17)23-20(25)12-5-13-27-19-11-3-7-15-6-1-2-10-18(15)19/h1-4,6-11,14H,5,12-13H2,(H,23,25)(H3,22,24,26).
What are the key properties of N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide?
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 363.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 55706773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).