2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide

C17H27N3O3 — CID 47050419

IUPAC2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide
SMILESCCCOc1cc(C)ccc1NC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C17H27N3O3/c1-5-10-23-15-11-13(4)6-7-14(15)20-17(22)19-9-8-18-16(21)12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)(H2,19,20,22)
InChIKeyIOTVZAUJPVCVDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.68
Rot. Bonds8

About 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide

2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide (PubChem CID 47050419) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide
PubChem CID47050419
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide
SMILESCCCOc1cc(C)ccc1NC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C17H27N3O3/c1-5-10-23-15-11-13(4)6-7-14(15)20-17(22)19-9-8-18-16(21)12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)(H2,19,20,22)
InChIKeyIOTVZAUJPVCVDR-UHFFFAOYSA-N
XLogP2.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide (CID 47050419) is 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide is CCCOc1cc(C)ccc1NC(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide?
The InChIKey is IOTVZAUJPVCVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-10-23-15-11-13(4)6-7-14(15)20-17(22)19-9-8-18-16(21)12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide?
2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide is sourced from PubChem (CID 47050419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).