1-(propanoylamino)-3-(3-tributylstannylphenyl)urea

C22H39N3O2Sn — CID 70601105

IUPAC1-(propanoylamino)-3-(3-tributylstannylphenyl)urea
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(NC(=O)NNC(=O)CC)c1
InChIInChI=1S/C10H12N3O2.3C4H9.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,2H2,1H3,(H,12,14)(H2,11,13,15);3*1,3-4H2,2H3;
InChIKeyRVEGNYFJKBBQLF-UHFFFAOYSA-N
MW496.28 g/mol
LogP5.31
Rot. Bonds12

About 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea

1-(propanoylamino)-3-(3-tributylstannylphenyl)urea (PubChem CID 70601105) has the molecular formula C22H39N3O2Sn and a molecular weight of 496.28 g/mol. Its IUPAC name is 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea.

Molecular Properties

Compound Name1-(propanoylamino)-3-(3-tributylstannylphenyl)urea
PubChem CID70601105
Molecular FormulaC22H39N3O2Sn
Molecular Weight496.28 g/mol
Exact Mass497.21
IUPAC Name1-(propanoylamino)-3-(3-tributylstannylphenyl)urea
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(NC(=O)NNC(=O)CC)c1
InChIInChI=1S/C10H12N3O2.3C4H9.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,2H2,1H3,(H,12,14)(H2,11,13,15);3*1,3-4H2,2H3;
InChIKeyRVEGNYFJKBBQLF-UHFFFAOYSA-N
XLogP5.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.28
LogP ≤ 55.31
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

1-(propanoylamino)-3-(3-tributylstannylphenyl)thiourea
CID 88790700
N-(3-tributylstannylphenyl)pentanamide
CID 67913040
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
1-(octanoylamino)-3-phenylurea
CID 5130887
N-[3-(octylamino)phenyl]propanamide
CID 43130255
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
N-(3-bromophenyl)heptanamide
CID 4596383
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809

Frequently Asked Questions

What is the IUPAC name of 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea?
The IUPAC name of 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea (CID 70601105) is 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea.
What is the SMILES notation for 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea?
The canonical SMILES for 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea is CCCC[Sn](CCCC)(CCCC)c1cccc(NC(=O)NNC(=O)CC)c1.
What is the InChIKey of 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea?
The InChIKey is RVEGNYFJKBBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3O2.3C4H9.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,2H2,1H3,(H,12,14)(H2,11,13,15);3*1,3-4H2,2H3;.
What are the key properties of 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea?
1-(propanoylamino)-3-(3-tributylstannylphenyl)urea has a molecular weight of 496.28 g/mol, XLogP of 5.31, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propanoylamino)-3-(3-tributylstannylphenyl)urea is sourced from PubChem (CID 70601105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).