N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide

C10H19F3N4O2 — CID 103369851

IUPACN-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCCCNC(=O)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-2-4-16-8(18)3-5-15-6-7(9(14)17-19)10(11,12)13/h7,15,19H,2-6H2,1H3,(H2,14,17)(H,16,18)
InChIKeyWAUNSWBCDGBCAJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.42
Rot. Bonds8

About N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide

N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (PubChem CID 103369851) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
PubChem CID103369851
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCCCNC(=O)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-2-4-16-8(18)3-5-15-6-7(9(14)17-19)10(11,12)13/h7,15,19H,2-6H2,1H3,(H2,14,17)(H,16,18)
InChIKeyWAUNSWBCDGBCAJ-UHFFFAOYSA-N
XLogP0.42
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
CID 43156161
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
CID 54987980
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890842
(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61852349
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3,3,3-trifluoropropyl)pentanamide
CID 63227867
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 63227868
2-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65530835
(3Z)-3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(3,3,3-trifluoropropyl)propanamide
CID 65531225
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65713008
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3,3,3-trifluoropropanamide
CID 76204783
3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 76219722

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The IUPAC name of N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (CID 103369851) is N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.
What is the SMILES notation for N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The canonical SMILES for N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is CCCNC(=O)CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The InChIKey is WAUNSWBCDGBCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-2-4-16-8(18)3-5-15-6-7(9(14)17-19)10(11,12)13/h7,15,19H,2-6H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is sourced from PubChem (CID 103369851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).