N-[[ethyl(methyl)phosphanyl]methyl]propanamide

C7H16NOP — CID 163250459

IUPACN-[[ethyl(methyl)phosphanyl]methyl]propanamide
SMILESCCC(=O)NCP(C)CC
InChIInChI=1S/C7H16NOP/c1-4-7(9)8-6-10(3)5-2/h4-6H2,1-3H3,(H,8,9)
InChIKeyOUVVRLULJXZYDZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.60
Rot. Bonds4

About N-[[ethyl(methyl)phosphanyl]methyl]propanamide

N-[[ethyl(methyl)phosphanyl]methyl]propanamide (PubChem CID 163250459) has the molecular formula C7H16NOP and a molecular weight of 161.18 g/mol. Its IUPAC name is N-[[ethyl(methyl)phosphanyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[ethyl(methyl)phosphanyl]methyl]propanamide
PubChem CID163250459
Molecular FormulaC7H16NOP
Molecular Weight161.18 g/mol
Exact Mass161.10
IUPAC NameN-[[ethyl(methyl)phosphanyl]methyl]propanamide
SMILESCCC(=O)NCP(C)CC
InChIInChI=1S/C7H16NOP/c1-4-7(9)8-6-10(3)5-2/h4-6H2,1-3H3,(H,8,9)
InChIKeyOUVVRLULJXZYDZ-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;N-ethylpropanamide
CID 143477358
N-(2-oxopropyl)propanamide
CID 23550155
N-ethylpropanamide tetrafluoroborate
CID 88753462
N-(2-phosphanylethyl)propanamide
CID 146644677
ethanamine;ethane;N-ethylpropanamide
CID 157433415
N-ethylpropanamide;ethyl propanoate
CID 90984827
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
ethane;N-pent-2-ynylpropanamide
CID 169175409
methane;methanethiol;N-(methylaminomethyl)propanamide
CID 143701183
S-[(propanoylamino)methyl] ethanethioate
CID 87961608
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(methyl)phosphanyl]methyl]propanamide?
The IUPAC name of N-[[ethyl(methyl)phosphanyl]methyl]propanamide (CID 163250459) is N-[[ethyl(methyl)phosphanyl]methyl]propanamide.
What is the SMILES notation for N-[[ethyl(methyl)phosphanyl]methyl]propanamide?
The canonical SMILES for N-[[ethyl(methyl)phosphanyl]methyl]propanamide is CCC(=O)NCP(C)CC.
What is the InChIKey of N-[[ethyl(methyl)phosphanyl]methyl]propanamide?
The InChIKey is OUVVRLULJXZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NOP/c1-4-7(9)8-6-10(3)5-2/h4-6H2,1-3H3,(H,8,9).
What are the key properties of N-[[ethyl(methyl)phosphanyl]methyl]propanamide?
N-[[ethyl(methyl)phosphanyl]methyl]propanamide has a molecular weight of 161.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(methyl)phosphanyl]methyl]propanamide is sourced from PubChem (CID 163250459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).