2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide

C14H25N5O4 — CID 123721812

IUPAC2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)/C(C)=N/C(=O)CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C14H25N5O4/c1-8(2)12(15)14(23)19(5)7-11(21)18-9(3)13(22)17-6-10(20)16-4/h8,12H,6-7,15H2,1-5H3,(H,16,20)(H,17,22)/b18-9+
InChIKeyRHJGWQRKNGIPRN-GIJQJNRQSA-N
MW327.39 g/mol
LogP-1.72
Rot. Bonds7

About 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide

2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide (PubChem CID 123721812) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide
PubChem CID123721812
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)/C(C)=N/C(=O)CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C14H25N5O4/c1-8(2)12(15)14(23)19(5)7-11(21)18-9(3)13(22)17-6-10(20)16-4/h8,12H,6-7,15H2,1-5H3,(H,16,20)(H,17,22)/b18-9+
InChIKeyRHJGWQRKNGIPRN-GIJQJNRQSA-N
XLogP-1.72
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide (CID 123721812) is 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide is CNC(=O)CNC(=O)/C(C)=N/C(=O)CN(C)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide?
The InChIKey is RHJGWQRKNGIPRN-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H25N5O4/c1-8(2)12(15)14(23)19(5)7-11(21)18-9(3)13(22)17-6-10(20)16-4/h8,12H,6-7,15H2,1-5H3,(H,16,20)(H,17,22)/b18-9+.
What are the key properties of 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide?
2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide has a molecular weight of 327.39 g/mol, XLogP of -1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 123721812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).