1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

C20H23N3O2 — CID 75415419

IUPAC1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C20H23N3O2/c24-18(12-16-6-3-5-13-4-1-2-7-17(13)16)22-23-20(25)21-19(14-8-9-14)15-10-11-15/h1-7,14-15,19H,8-12H2,(H,22,24)(H2,21,23,25)
InChIKeyDQZZXAQKGBHHRH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds5

About 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (PubChem CID 75415419) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
PubChem CID75415419
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C20H23N3O2/c24-18(12-16-6-3-5-13-4-1-2-7-17(13)16)22-23-20(25)21-19(14-8-9-14)15-10-11-15/h1-7,14-15,19H,8-12H2,(H,22,24)(H2,21,23,25)
InChIKeyDQZZXAQKGBHHRH-UHFFFAOYSA-N
XLogP2.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
N-(1-cyclopropylethyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24688294
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
2,2,2-trifluoro-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 905420
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
CID 7948453
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634
2-naphthalen-1-yl-N'-(1-naphthalen-2-ylethenyl)acetohydrazide
CID 4620154
N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 75669398
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (CID 75415419) is 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is O=C(Cc1cccc2ccccc12)NNC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The InChIKey is DQZZXAQKGBHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18(12-16-6-3-5-13-4-1-2-7-17(13)16)22-23-20(25)21-19(14-8-9-14)15-10-11-15/h1-7,14-15,19H,8-12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea has a molecular weight of 337.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is sourced from PubChem (CID 75415419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).