N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide

C13H29N2O2PS — CID 88783800

IUPACN-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide
SMILESCCCCCCC(=O)N(C)P(=O)(NC)SCC(C)C
InChIInChI=1S/C13H29N2O2PS/c1-6-7-8-9-10-13(16)15(5)18(17,14-4)19-11-12(2)3/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyQRMYHFWEIZNBRL-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.13
Rot. Bonds10

About N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide

N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide (PubChem CID 88783800) has the molecular formula C13H29N2O2PS and a molecular weight of 308.43 g/mol. Its IUPAC name is N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide.

Molecular Properties

Compound NameN-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide
PubChem CID88783800
Molecular FormulaC13H29N2O2PS
Molecular Weight308.43 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide
SMILESCCCCCCC(=O)N(C)P(=O)(NC)SCC(C)C
InChIInChI=1S/C13H29N2O2PS/c1-6-7-8-9-10-13(16)15(5)18(17,14-4)19-11-12(2)3/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyQRMYHFWEIZNBRL-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
1-[[4-[1-[[4-[bis[2-[4-[bis(2-hydroxypropyl)amino]-4-oxobutanoyl]oxypropyl]amino]-4-oxobutanoyl]-[2-[4-[2-hydroxypropyl(2-methylpropyl)amino]-4-oxobutanoyl]oxypropyl]amino]propan-2-yloxy]-4-oxobutanoyl]-(2-hydroxypropyl)amino]propan-2-yl dodecanoate
CID 89411088
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide?
The IUPAC name of N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide (CID 88783800) is N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide.
What is the SMILES notation for N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide?
The canonical SMILES for N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide is CCCCCCC(=O)N(C)P(=O)(NC)SCC(C)C.
What is the InChIKey of N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide?
The InChIKey is QRMYHFWEIZNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2O2PS/c1-6-7-8-9-10-13(16)15(5)18(17,14-4)19-11-12(2)3/h12H,6-11H2,1-5H3,(H,14,17).
What are the key properties of N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide?
N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide has a molecular weight of 308.43 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methylamino(2-methylpropylsulfanyl)phosphoryl]heptanamide is sourced from PubChem (CID 88783800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).